N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide

C12H16BrNO2 — CID 113099538

IUPACN-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-9(2)12(15)14-7-8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyOFFGGHPCKKZWPU-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.60
Rot. Bonds5

About N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide

N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide (PubChem CID 113099538) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
PubChem CID113099538
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-9(2)12(15)14-7-8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyOFFGGHPCKKZWPU-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
CID 112971029
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113099571
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971083
N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112971026
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576
3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112971088
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 60529897
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide (CID 113099538) is N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCOc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide?
The InChIKey is OFFGGHPCKKZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(2)12(15)14-7-8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide?
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide has a molecular weight of 286.17 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113099538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).